General Information of the Compound
| Compound ID |
CP0517573
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| Compound Name |
3-[[7-[5-chloro-3-methyl-2-[[(2R,3R)-3-methylmorpholin-2-yl]methyl]phenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
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| Structure |
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| Formula |
C26H26ClN3O3S
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| Molecular Weight |
496.032
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| Canonical SMILES |
C[C@H]1NCCO[C@@H]1Cc1c(C)cc(Cl)cc1-c1ccnc2cc(CN3C(=O)C4CC4C3=O)sc12
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| InChI |
InChI=1S/C26H26ClN3O3S/c1-13-7-15(27)8-19(18(13)11-23-14(2)28-5-6-33-23)17-3-4-29-22-9-16(34-24(17)22)12-30-25(31)20-10-21(20)26(30)32/h3-4,7-9,14,20-21,23,28H,5-6,10-12H2,1-2H3/t14-,20?,21?,23-/m1/s1
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| InChIKey |
QANIPMSZUGTHAV-IHDNSLFNSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound